Molecule

ID:110405

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₃
Molecular Mass
192.21118
Exact Mass
192.07864424
Charge
0
InChI
InChI=1S/C11H12O3/c1-2-13-11(12)10-9(14-10)8-6-4-3-5-7-8/h3-7,9-10H,2H2,1H3
InChIKey
GOMAKLPNAAZVCJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1OC1c1ccccc1
Isomeric Smiles
CCOC(=O)C1OC1c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9299062
LogD (pH = 7.4)
1.9299062
Log P
1.9299062
Molar Refractivity
50.6739
Polarizability
20.264124
Polar Surface Area
38.83
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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